(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propionic acid Formula: C35H65N13O13 MolecularWeight: 875.9699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)O)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(C(C)O)N

Isomeric SMILES

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

InChI

InChI=1S/C35H65N13O13/c1-4-17(2)27(48-31(57)22(15-49)46-30(56)21(10-11-24(37)52)43-25(53)14-42-32(58)26(38)18(3)51)33(59)45-19(8-5-6-12-36)28(54)44-20(9-7-13-41-35(39)40)29(55)47-23(16-50)34(60)61/h17-23,26-27,49-51H,4-16,36,38H2,1-3H3,(H2,37,52)(H,42,58)(H,43,53)(H,44,54)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,60,61)(H4,39,40,41)/t17-,18+,19-,20-,21-,22-,23-,26-,27-/m0/s1