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

Systemtic Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-mercapto-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-mercapto-propionic acid Formula: C41H77N15O10S3 MolecularWeight: 1036.33958

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C41H77N15O10S3/c1-7-22(6)31(38(64)55-29(19-69)39(65)66)56-34(60)24(11-9-13-48-41(45)46)51-35(61)25(14-20(2)3)50-30(57)16-49-33(59)27(17-67)54-36(62)26(15-21(4)5)52-37(63)28(18-68)53-32(58)23(42)10-8-12-47-40(43)44/h20-29,31,67-69H,7-19,42H2,1-6H3,(H,49,59)(H,50,57)(H,51,61)(H,52,63)(H,53,58)(H,54,62)(H,55,64)(H,56,60)(H,65,66)(H4,43,44,47)(H4,45,46,48)/t22-,23-,24-,25-,26-,27-,28-,29-,31-/m0/s1