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

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxo-4-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-3-amino-1-carboxy-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-4-[[(2S)-prolyl]amino]valeric acid Formula: C42H74N10O13 MolecularWeight: 927.09616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)O

InChI

InChI=1S/C42H74N10O13/c1-21(2)17-28(38(60)50-29(18-22(3)4)39(61)51-31(42(64)65)20-32(44)54)48-36(58)26(11-8-9-15-43)47-41(63)34(24(7)53)52-40(62)30(19-23(5)6)49-37(59)27(13-14-33(55)56)46-35(57)25-12-10-16-45-25/h21-31,34,45,53H,8-20,43H2,1-7H3,(H2,44,54)(H,46,57)(H,47,63)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)(H,55,56)(H,64,65)/t24-,25+,26+,27+,28+,29+,30+,31+,34+/m1/s1