(4S)-5-[[(2S)-4-azanyl-1-[[(2S,3S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-oxidanylidene-pen

Systemtic Name: (4S)-5-[[(2S)-4-azanyl-1-[[(2S,3S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-oxidanylidene-pen Openeye Name: (4S)-5-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-keto-valeric acid Formula: C60H99N15O19 MolecularWeight: 1334.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C60H99N15O19/c1-6-33(4)49(59(92)71-39(20-12-15-27-63)53(86)69-38(19-11-14-26-62)54(87)74-44(60(93)94)29-35-16-8-7-9-17-35)75-58(91)43(31-45(65)76)73-55(88)40(21-23-46(77)78)67-50(83)34(5)66-52(85)37(18-10-13-25-61)70-57(90)42(28-32(2)3)72-56(89)41(22-24-47(79)80)68-51(84)36(64)30-48(81)82/h7-9,16-17,32-34,36-44,49H,6,10-15,18-31,61-64H2,1-5H3,(H2,65,76)(H,66,85)(H,67,83)(H,68,84)(H,69,86)(H,70,90)(H,71,92)(H,72,89)(H,73,88)(H,74,87)(H,75,91)(H,77,78)(H,79,80)(H,81,82)(H,93,94)/t33-,34-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1