(2S,3R)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butyric acid Formula: C39H72N14O13S MolecularWeight: 977.13998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C)NC(=O)C(CCSC)N

Isomeric SMILES

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

InChI

InChI=1S/C39H72N14O13S/c1-19(2)15-25(50-31(58)20(3)47-32(59)22(41)11-14-67-5)36(63)52-27(18-54)37(64)49-24(9-6-7-12-40)34(61)51-26(16-28(42)56)33(60)46-17-29(57)48-23(10-8-13-45-39(43)44)35(62)53-30(21(4)55)38(65)66/h19-27,30,54-55H,6-18,40-41H2,1-5H3,(H2,42,56)(H,46,60)(H,47,59)(H,48,57)(H,49,64)(H,50,58)(H,51,61)(H,52,63)(H,53,62)(H,65,66)(H4,43,44,45)/t20-,21+,22-,23-,24-,25-,26-,27-,30-/m0/s1