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

Systemtic Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-(methylthio)butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-mercapto-propionic acid Formula: C44H83N13O11S3 MolecularWeight: 1066.40532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H83N13O11S3/c1-8-24(5)33(56-35(59)26(46)21-69)41(65)53-30(19-23(3)4)39(63)51-27(13-10-11-16-45)36(60)52-29(15-18-71-7)38(62)50-28(14-12-17-49-44(47)48)37(61)54-31(20-58)40(64)57-34(25(6)9-2)42(66)55-32(22-70)43(67)68/h23-34,58,69-70H,8-22,45-46H2,1-7H3,(H,50,62)(H,51,63)(H,52,60)(H,53,65)(H,54,61)(H,55,66)(H,56,59)(H,57,64)(H,67,68)(H4,47,48,49)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1