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

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C53H87N11O13 MolecularWeight: 1086.32378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)O)N

InChI

InChI=1S/C53H87N11O13/c1-9-30(6)42(56)50(73)62-43(31(7)10-2)51(74)61-38(28-41(66)67)48(71)63-44(32(8)11-3)52(75)64-25-17-21-39(64)49(72)57-34(22-23-40(55)65)45(68)59-36(26-29(4)5)46(69)60-37(27-33-18-13-12-14-19-33)47(70)58-35(53(76)77)20-15-16-24-54/h12-14,18-19,29-32,34-39,42-44H,9-11,15-17,20-28,54,56H2,1-8H3,(H2,55,65)(H,57,72)(H,58,70)(H,59,68)(H,60,69)(H,61,74)(H,62,73)(H,63,71)(H,66,67)(H,76,77)/t30-,31-,32-,34-,35-,36-,37-,38-,39-,42-,43-,44-/m0/s1