(3S)-3-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-sulfanyl-hexanediamide

Systemtic Name: (3S)-3-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-sulfanyl-hexanediamide Openeye Name: (3S)-3-amino-N-[(1S)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-2-sulfanyl-hexanediamide CAS Name: (3S)-3-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-mercaptohexanediamide IUPAC Name: (3S)-3-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-sulfanylhexanediamide Traditional Name: (3S)-3-amino-N-[(1S)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-guanidino-butyl]-2-mercapto-adipamide Formula: C37H71N13O9S MolecularWeight: 874.10634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(CCC(=O)N)N)S

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C([C@H](CCC(=O)N)N)S

InChI

InChI=1S/C37H71N13O9S/c1-6-7-11-23(34(57)49-26(30(41)53)18-19(2)3)46-33(56)24(12-8-9-16-38)47-35(58)28(21(5)51)50-31(54)20(4)45-32(55)25(13-10-17-44-37(42)43)48-36(59)29(60)22(39)14-15-27(40)52/h19-26,28-29,51,60H,6-18,38-39H2,1-5H3,(H2,40,52)(H2,41,53)(H,45,55)(H,46,56)(H,47,58)(H,48,59)(H,49,57)(H,50,54)(H4,42,43,44)/t20-,21+,22-,23-,24-,25-,26-,28-,29?/m0/s1