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

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]hexanoic acid Formula: C39H74N16O12S MolecularWeight: 991.16986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H74N16O12S/c1-19(2)16-25(33(62)50-23(11-12-28(42)58)31(60)54-27(18-68)35(64)51-24(37(66)67)9-4-5-13-40)52-34(63)26(17-56)53-36(65)29(20(3)57)55-32(61)22(10-7-15-48-39(45)46)49-30(59)21(41)8-6-14-47-38(43)44/h19-27,29,56-57,68H,4-18,40-41H2,1-3H3,(H2,42,58)(H,49,59)(H,50,62)(H,51,64)(H,52,63)(H,53,65)(H,54,60)(H,55,61)(H,66,67)(H4,43,44,47)(H4,45,46,48)/t20-,21+,22+,23+,24+,25+,26+,27+,29+/m1/s1