(4S)-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-1-benzyl-2-[(2S)-2-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-1-benzyl-2-[(2S)-2-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]pyrrolidino]-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C49H67N11O17 MolecularWeight: 1082.11978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C49H67N11O17/c1-25(2)19-32(56-43(70)30(15-17-40(65)66)54-39(64)24-53-42(69)29(50)22-38(52)63)45(72)55-31(14-16-37(51)62)44(71)57-33(23-41(67)68)46(73)58-34(20-26-7-4-3-5-8-26)48(75)60-18-6-9-36(60)47(74)59-35(49(76)77)21-27-10-12-28(61)13-11-27/h3-5,7-8,10-13,25,29-36,61H,6,9,14-24,50H2,1-2H3,(H2,51,62)(H2,52,63)(H,53,69)(H,54,64)(H,55,72)(H,56,70)(H,57,71)(H,58,73)(H,59,74)(H,65,66)(H,67,68)(H,76,77)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1