(3S)-3-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-pen

Systemtic Name: (3S)-3-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-pen Openeye Name: (3S)-3-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoi IUPAC Name: (3S)-3-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-3-[[(2S)-1-glycylprolyl]amino]-4-keto-butyric acid Formula: C56H83N13O24 MolecularWeight: 1322.33092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CN

InChI

InChI=1S/C56H83N13O24/c1-7-26(4)44(68-46(82)28(6)59-47(83)31(18-40(73)74)61-50(86)34(21-43(79)80)63-54(90)38-14-11-15-69(38)39(72)22-57)55(91)64-32(19-41(75)76)48(84)58-27(5)45(81)60-30(16-25(2)3)49(85)66-37(24-71)53(89)67-36(23-70)52(88)62-33(20-42(77)78)51(87)65-35(56(92)93)17-29-12-9-8-10-13-29/h8-10,12-13,25-28,30-38,44,70-71H,7,11,14-24,57H2,1-6H3,(H,58,84)(H,59,83)(H,60,81)(H,61,86)(H,62,88)(H,63,90)(H,64,91)(H,65,87)(H,66,85)(H,67,89)(H,68,82)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,92,93)/t26-,27-,28-,30-,31-,32-,33-,34-,35-,36-,37-,38-,44-/m0/s1