(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]hexanoic acid Formula: C53H91N13O12 MolecularWeight: 1102.36954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)N)O

InChI

InChI=1S/C53H91N13O12/c1-31(2)28-39(62-45(69)35(57)22-23-43(58)68)47(71)63-41(30-34-16-7-6-8-17-34)48(72)60-37(19-10-13-25-55)52(76)66-27-15-21-42(66)50(74)64-40(29-32(3)4)49(73)65-44(33(5)67)51(75)59-36(18-9-12-24-54)46(70)61-38(53(77)78)20-11-14-26-56/h6-8,16-17,31-33,35-42,44,67H,9-15,18-30,54-57H2,1-5H3,(H2,58,68)(H,59,75)(H,60,72)(H,61,70)(H,62,69)(H,63,71)(H,64,74)(H,65,73)(H,77,78)/t33-,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1