(3S)-4-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(carboxymethylamino)-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[(2S)-6-azanyl-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(carboxymethylamino)-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[(2S)-6-azanyl-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-3-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]hexanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-3-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]hexanoyl]amino]-4-keto-butyric acid Formula: C33H59N13O12 MolecularWeight: 829.90146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H59N13O12/c1-16(2)12-20(30(56)43-18(7-5-11-40-33(38)39)28(54)41-15-26(51)52)44-31(57)21(13-24(37)48)45-32(58)22(14-25(49)50)46-29(55)19(6-3-4-10-34)42-27(53)17(35)8-9-23(36)47/h16-22H,3-15,34-35H2,1-2H3,(H2,36,47)(H2,37,48)(H,41,54)(H,42,53)(H,43,56)(H,44,57)(H,45,58)(H,46,55)(H,49,50)(H,51,52)(H4,38,39,40)/t17-,18-,19-,20-,21-,22-/m0/s1