3-((4-Amino-5-(4-hydroxyphenyl)-1-oxo-2-pentenyl)amino)-N-formyl-L-alanyl-D-prolyl-6-((aminoiminomethyl)amino)-2-oxo-3-aminohexanoyl-L-phenylalanine cyclic (4-1)-peptide
[CAS# 129033-04-1]

Identification

• Name: 3-((4-Amino-5-(4-hydroxyphenyl)-1-oxo-2-pentenyl)amino)-N-formyl-L-alanyl-D-prolyl-6-((aminoiminomethyl)amino)-2-oxo-3-aminohexanoyl-L-phenylalanine cyclic (4-1)-peptide
• Synonyms: N-[(1S)-1-Amino-3-[(2S)-2-[(E,6S)-6-Amino-2-[(4R)-4-Amino-2-(4-Hydroxyphenyl)-3-Oxo-5-Phenyl-Pentanimidoyl]-3-Formyl-9-Guanidino-4,5-Dioxo-Non-2-Enoyl]Pyrrolidin-1-Yl]-3-Oxo-Propyl]Formamide; N-[(1S)-1-Amino-3-[(2S)-2-[(E,6S)-6-Amino-2-[(4R)-4-Amino-2-(4-Hydroxyphenyl)-1-Imino-3-Oxo-5-Phenylpentyl]-3-Formyl-9-Guanidino-1,4,5-Trioxonon-2-Enyl]-1-Pyrrolidinyl]-3-Oxopropyl]Formamide; N-[(1S)-1-Amino-3-[(2S)-2-[(E,6S)-6-Amino-2-[(4R)-4-Amino-2-(4-Hydroxyphenyl)-3-Keto-5-Phenyl-Pentanimidoyl]-3-Formyl-9-Guanidino-4,5-Diketo-Non-2-Enoyl]Pyrrolidin-1-Yl]-3-Keto-Propyl]Formamide
• Molecular Formula: C₃₆H₄₅N₉O₈
• Molecular Weight: 731.81
• CAS Registry Number: 129033-04-1
• SMILES: [C@@H]1(N(CCC1)C(=O)C[C@H](NC=O)N)C(=O)\C(C(=N)C(C(=O)[C@H](N)CC2=CC=CC=C2)C3=CC=C(O)C=C3)=C(\C(=O)C(=O)[C@@H](N)CCCN=C(N)N)C=O
• InChI: 1S/C36H45N9O8/c37-24(8-4-14-43-36(41)42)34(52)32(50)23(18-46)30(35(53)26-9-5-15-45(26)28(49)17-27(39)44-19-47)31(40)29(21-10-12-22(48)13-11-21)33(51)25(38)16-20-6-2-1-3-7-20/h1-3,6-7,10-13,18-19,24-27,29,40,48H,4-5,8-9,14-17,37-39H2,(H,44,47)(H4,41,42,43)/b30-23+,40-31?/t24-,25+,26-,27-,29?/m0/s1
• InChIKey: RYVXGYQBJSEYPK-MLGRYAJVSA-N