(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[[(2S)-1-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]prolyl]prolyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-valeric acid Formula: C33H58N10O11S MolecularWeight: 802.93902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O

InChI

InChI=1S/C33H58N10O11S/c1-16(44)23(34)28(49)38-19(11-15-55-4)26(47)41-25(18(3)46)31(52)43-14-7-10-22(43)30(51)42-13-6-9-21(42)27(48)40-24(17(2)45)29(50)39-20(32(53)54)8-5-12-37-33(35)36/h16-25,44-46H,5-15,34H2,1-4H3,(H,38,49)(H,39,50)(H,40,48)(H,41,47)(H,53,54)(H4,35,36,37)/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25+/m1/s1