L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate supplier

Name
N-((PHENYLMETHOXY)CARBONYL)-o-(PHENYLMETHYL)-l-SERYL-l-TRYPTOPHYL-l-SERYL-l-TYROSYL-2,3,4,5,6-PENTAMETHYL-dl-PHENYLALANYL-l-LEUCYL-l-ARGINYL-N-ETHYL-l-PROLINAMIDE MONOACETATE (SALT), DIHYDRATE
EINECS
CAS No. 70601-60-4
Density
Solubility
Melting Point
Formula C₇₄H₉₇N₁₃O₁₃•C₂H₄O₂•2H₂O
Boiling Point
Molecular Weight 1472.94
Flash Point
Transport Information
Appearance
Safety Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols A reproductive hazard.
Synonyms
PSA
LogP

L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate Chemical Properties

Molecule structure of L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate (CAS NO.70601-60-4) :

IUPAC Name: acetic acid; benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-
(2,3,4,5,6-pentamethylphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-(1-ethylpyrrolidine-2-carbonyl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
Molecular Weight: 1436.69324 g/mol
Molecular Formula: C₇₆H₁₀₁N₁₃O₁₅
H-Bond Donor: 13
H-Bond Acceptor: 20
Rotatable Bond Count: 35
Tautomer Count: 128
Exact Mass: 1435.75401
MonoIsotopic Mass: 1435.75401
Topological Polar Surface Area: 435
Heavy Atom Count: 104
Complexity: 2700
Defined Atom StereoCenter Count: 7
Undefined Atom StereoCenter Count: 1
Canonical SMILES: CCN1CCCC1C(=O)N(C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=C(C(=C(C(=C2C)C)C)C)C)N)C(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
Isomeric SMILES: CCN1CCCC1C(=O)N(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]
(CC2=C(C(=C(C(=C2C)C)C)C)C)N)C(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
InChIKey: XZNOAJGEIWJQLM-HNGUDNSJSA-N

L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x.

Product Name

N-((PHENYLMETHOXY)CARBONYL)-o-(PHENYLMETHYL)-l-SERYL-l-TRYPTOPHYL-l-SERYL-l-TYROSYL-2,3,4,5,6-PENTAMETHYL-dl-PHENYLALANYL-l-LEUCYL-l-ARGINYL-N-ETHYL-l-PROLINAMIDE MONOACETATE (SALT), DIHYDRATE

L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate Chemical Properties

L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate Safety Profile

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