N-[2-[[N-[1-[N-(2,2-Dimethyl-1-oxopropyl)-L-histidyl]-L-prolyl]-L-phenylalanyl]amino]-1-hydroxy-4-methylpentyl]-L-leucyl-L-tyrosyl-L-tyrosyl-L-Serinamide
[CAS# 139890-66-7]

Identification

• Name: N-[2-[[N-[1-[N-(2,2-Dimethyl-1-oxopropyl)-L-histidyl]-L-prolyl]-L-phenylalanyl]amino]-1-hydroxy-4-methylpentyl]-L-leucyl-L-tyrosyl-L-tyrosyl-L-Serinamide
• Synonyms: (2S)-N-[(1S)-2-[[1-[[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-Amino-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-Hydroxy-Methyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-1-[(2S)-2-(2,2-Dimethylpropanoylamino)-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-2-[[1-[[[(1S)-1-[[[(1S)-2-[[(1S)-2-[[(1S)-2-Amino-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Hydroxymethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-1-[(2S)-2-[(2,2-Dimethyl-1-Oxopropyl)Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-2-[[1-[[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-Amino-2-Keto-1-Methylol-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-Hydroxy-Methyl]-3-Methyl-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]-1-[(2S)-3-(3H-Imidazol-4-Yl)-2-(Pivaloylamino)Propanoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₈H₈₁N₁₁O₁₂
• Molecular Weight: 1124.34
• CAS Registry Number: 139890-66-7
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)C(C)(C)C)CC1=CN=C[NH]1)CCC2)C(=O)N[C@H](C(=O)NC(C(O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)CC(C)C)CC(C)C)CC5=CC=CC=C5
• InChI: 1S/C58H81N11O12/c1-33(2)24-41(63-53(77)45(26-35-12-9-8-10-13-35)66-55(79)48-14-11-23-69(48)56(80)46(29-38-30-60-32-61-38)68-57(81)58(5,6)7)50(74)62-42(25-34(3)4)51(75)64-43(27-36-15-19-39(71)20-16-36)52(76)65-44(28-37-17-21-40(72)22-18-37)54(78)67-47(31-70)49(59)73/h8-10,12-13,15-22,30,32-34,41-48,50,62,70-72,74H,11,14,23-29,31H2,1-7H3,(H2,59,73)(H,60,61)(H,63,77)(H,64,75)(H,65,76)(H,66,79)(H,67,78)(H,68,81)/t41?,42-,43-,44-,45-,46-,47-,48-,50?/m0/s1
• InChIKey: IOODFRUCBCPLAP-WRPOBCEFSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 1485.838°C at 760 mmHg (Cal.)
• Flash point: 852.404°C (Cal.)