(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-ethoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-2-[2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-ethoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-2-[2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-ethoxy-4-oxo-butyl]amino]-4-[[(2S)-2-[[2-[[(2S)-2,6-bis(benzyloxycarbonylamino)hexanoyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-ethoxy-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-4-hydroxy-1,4-dioxo-2-[[1-oxo-2-[[(2S)-1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]ethyl]amino]butyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-ethoxy-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-4-ethoxy-4-keto-butyl]amino]-4-[[(2S)-2-[[2-[[(2S)-2,6-bis(benzyloxycarbonylamino)hexanoyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C52H74N10O19 MolecularWeight: 1143.19956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C52H74N10O19/c1-5-79-43(69)22-20-36(47(73)61-39(27-63)50(76)60-37(24-30(2)3)48(74)56-31(4)44(53)70)58-46(72)35(19-21-41(65)66)59-49(75)38(25-42(67)68)57-40(64)26-55-45(71)34(62-52(78)81-29-33-16-10-7-11-17-33)18-12-13-23-54-51(77)80-28-32-14-8-6-9-15-32/h6-11,14-17,30-31,34-39,63H,5,12-13,18-29H2,1-4H3,(H2,53,70)(H,54,77)(H,55,71)(H,56,74)(H,57,64)(H,58,72)(H,59,75)(H,60,76)(H,61,73)(H,62,78)(H,65,66)(H,67,68)/t31-,34-,35-,36-,37-,38-,39-/m0/s1