(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-a

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-a Openeye Name: (4S)-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-oxopentan IUPAC Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic a Traditional Name: (4S)-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-5-keto-valeric acid Formula: C60H102N16O24S MolecularWeight: 1463.60968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C60H102N16O24S/c1-9-28(4)47(59(99)74-38(24-27(2)3)50(90)65-26-45(87)88)75-57(97)39(25-44(85)86)73-54(94)33(13-17-40(62)79)67-49(89)29(5)66-51(91)32(12-10-11-22-61)72-60(100)48(31(7)78)76-56(96)36(16-20-43(83)84)69-53(93)35(15-19-42(81)82)68-55(95)37(21-23-101-8)70-52(92)34(14-18-41(63)80)71-58(98)46(64)30(6)77/h27-39,46-48,77-78H,9-26,61,64H2,1-8H3,(H2,62,79)(H2,63,80)(H,65,90)(H,66,91)(H,67,89)(H,68,95)(H,69,93)(H,70,92)(H,71,98)(H,72,100)(H,73,94)(H,74,99)(H,75,97)(H,76,96)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,46-,47-,48-/m0/s1