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

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]amino]-2-keto-1-methylol-ethyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C47H76N10O16 MolecularWeight: 1037.16374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C47H76N10O16/c1-24(2)20-31(52-39(64)28(49)15-17-35(60)61)43(68)56-37(25(3)4)46(71)55-34(23-59)45(70)51-30(16-18-36(62)63)40(65)53-32(21-27-12-8-7-9-13-27)42(67)54-33(22-58)44(69)50-29(14-10-11-19-48)41(66)57-38(26(5)6)47(72)73/h7-9,12-13,24-26,28-34,37-38,58-59H,10-11,14-23,48-49H2,1-6H3,(H,50,69)(H,51,70)(H,52,64)(H,53,65)(H,54,67)(H,55,71)(H,56,68)(H,57,66)(H,60,61)(H,62,63)(H,72,73)/t28-,29-,30-,31-,32-,33-,34-,37-,38-/m0/s1