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

Systemtic Name: (2R)-2-[[(2S,3S)-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-mercapto-propionic acid Formula: C39H72N12O11S3 MolecularWeight: 981.25778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CS)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CS)NC(=O)C(C(C)CC)NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

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

InChI

InChI=1S/C39H72N12O11S3/c1-8-19(5)28(35(58)48-26(17-65)38(61)62)49-27(53)14-44-32(55)23(13-18(3)4)45-37(60)30(21(7)52)51-34(57)25(16-64)47-36(59)29(20(6)9-2)50-33(56)24(15-63)46-31(54)22(40)11-10-12-43-39(41)42/h18-26,28-30,52,63-65H,8-17,40H2,1-7H3,(H,44,55)(H,45,60)(H,46,54)(H,47,59)(H,48,58)(H,49,53)(H,50,56)(H,51,57)(H,61,62)(H4,41,42,43)/t19-,20-,21+,22-,23-,24-,25-,26-,28-,29-,30-/m0/s1