(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-4-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-penta

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-4-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-penta Openeye Name: (4S)-4-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1R)-2-[(2S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2,2-diphenyl-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-mercapto-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1R)-2-[(2S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]butyl]carbamoyl]pyrrolidino]-2-keto-1-(mercaptomethyl)ethyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2,2-diphenyl-ethyl]amino]-4-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C64H89N11O16S MolecularWeight: 1300.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C2CCCN2C(=O)C(CS)NC(=O)C(CC3CCCCC3)NC(=O)C(C(C)CC)NC(=O)C(C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C64H89N11O16S/c1-4-16-43(57(84)71-47(34-76)60(87)69-45(55(66)82)31-38-24-26-41(77)27-25-38)68-61(88)49-23-15-30-75(49)64(91)48(35-92)72-59(86)46(32-37-17-9-6-10-18-37)70-62(89)53(36(3)5-2)73-63(90)54(52(39-19-11-7-12-20-39)40-21-13-8-14-22-40)74-58(85)44(28-29-50(78)79)67-56(83)42(65)33-51(80)81/h7-8,11-14,19-22,24-27,36-37,42-49,52-54,76-77,92H,4-6,9-10,15-18,23,28-35,65H2,1-3H3,(H2,66,82)(H,67,83)(H,68,88)(H,69,87)(H,70,89)(H,71,84)(H,72,86)(H,73,90)(H,74,85)(H,78,79)(H,80,81)/t36-,42-,43-,44-,45