[4-[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]amino]-3-oxo-propyl]phenyl] dihydrogen phosphate CAS Name: [4-[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-[[(1S)-2-amino-2-keto-1-methyl-ethyl]amino]-3-keto-propyl]phenyl] dihydrogen phosphate Formula: C43H76N13O14P MolecularWeight: 1030.116001

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC(C)C(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C43H76N13O14P/c1-7-23(4)33(41(65)53-31(38(62)50-24(5)35(46)59)20-26-13-15-27(16-14-26)70-71(67,68)69)55-42(66)34(25(6)58)56-39(63)30(19-22(2)3)52-40(64)32(21-57)54-37(61)29(12-8-9-17-44)51-36(60)28(45)11-10-18-49-43(47)48/h13-16,22-25,28-34,57-58H,7-12,17-21,44-45H2,1-6H3,(H2,46,59)(H,50,62)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,66)(H,56,63)(H4,47,48,49)(H2,67,68,69)/t23-,24-,25+,28-,29-,30-,31-,32-,33-,34-/m0/s1