4-[[2-[[6-azanyl-2-[[2-[[4-azanyl-2-[[1-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-5-[2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]pentanoic acid

Systemtic Name: 4-[[2-[[6-azanyl-2-[[2-[[4-azanyl-2-[[1-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-5-[2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]pentanoic acid Openeye Name: 4-[[2-[[6-amino-2-[[2-[[4-amino-2-[[1-(2,4-diamino-4-oxo-butanoyl)pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[6-amino-2-[[2-[[4-amino-2-[[[1-(2,4-diamino-1,4-dioxobutyl)-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-[2-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[6-amino-2-[[2-[[4-amino-2-[[1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: 4-[[2-[[6-amino-2-[[2-[[4-amino-2-[[1-(2,4-diamino-4-keto-butanoyl)prolyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C51H70N12O17 MolecularWeight: 1123.1717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C3CCCN3C(=O)C(CC(=O)N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C3CCCN3C(=O)C(CC(=O)N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C51H70N12O17/c52-19-5-4-10-31(56-46(74)35(26-42(69)70)59-45(73)34(25-40(55)66)60-47(75)37-11-6-20-62(37)49(77)30(53)24-39(54)65)43(71)58-33(22-28-13-15-29(64)16-14-28)44(72)57-32(17-18-41(67)68)50(78)63-21-7-12-38(63)48(76)61-36(51(79)80)23-27-8-2-1-3-9-27/h1-3,8-9,13-16,30-38,64H,4-7,10-12,17-26,52-53H2,(H2,54,65)(H2,55,66)(H,56,74)(H,57,72)(H,58,71)(H,59,73)(H,60,75)(H,61,76)(H,67,68)(H,69,70)(H,79,80)