(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoyl]amino]-5-[[(1S)-1-[[(1S)-4-guanidino-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]propanoyl]amino]-5-[[(1S)-1-[[(1S)-4-guanidino-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]butyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-5-keto-valeric acid Formula: C32H55N11O14 MolecularWeight: 817.8444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N11O14/c1-15(38-28(53)19(8-10-22(44)45)41-26(51)17(34)6-3-4-12-33)25(50)40-20(9-11-23(46)47)29(54)43-21(14-24(48)49)30(55)42-18(7-5-13-37-32(35)36)27(52)39-16(2)31(56)57/h15-21H,3-14,33-34H2,1-2H3,(H,38,53)(H,39,52)(H,40,50)(H,41,51)(H,42,55)(H,43,54)(H,44,45)(H,46,47)(H,48,49)(H,56,57)(H4,35,36,37)/t15-,16-,17-,18-,19-,20-,21-/m0/s1