(2S)-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]succinic acid Formula: C33H56N14O16 MolecularWeight: 904.88194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H56N14O16/c1-11(41-26(56)14(34)7-19(35)50)25(55)46-23(12(2)48)30(60)44-16(8-20(36)51)28(58)42-15(5-4-6-40-33(38)39)27(57)43-17(9-21(37)52)29(59)47-24(13(3)49)31(61)45-18(32(62)63)10-22(53)54/h11-18,23-24,48-49H,4-10,34H2,1-3H3,(H2,35,50)(H2,36,51)(H2,37,52)(H,41,56)(H,42,58)(H,43,57)(H,44,60)(H,45,61)(H,46,55)(H,47,59)(H,53,54)(H,62,63)(H4,38,39,40)/t11-,12+,13+,14-,15-,16-,17-,18-,23-,24-/m0/s1