(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]prolyl]prolyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C53H83N11O16 MolecularWeight: 1130.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C53H83N11O16/c1-28(2)25-37(53(79)80)60-50(76)44(30(5)6)62-47(73)36(26-31-14-16-32(65)17-15-31)59-46(72)34(11-7-8-22-54)58-49(75)43(29(3)4)61-40(66)27-56-45(71)35(19-21-42(69)70)57-48(74)38-12-9-23-63(38)52(78)39-13-10-24-64(39)51(77)33(55)18-20-41(67)68/h14-17,28-30,33-39,43-44,65H,7-13,18-27,54-55H2,1-6H3,(H,56,71)(H,57,74)(H,58,75)(H,59,72)(H,60,76)(H,61,66)(H,62,73)(H,67,68)(H,69,70)(H,79,80)/t33-,34-,35-,36-,37-,38-,39-,43-,44-/m0/s1