(2S)-4-azanyl-2-[[(2R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-mercapto-propanoyl]amino]-4-keto-butyric acid Formula: C31H54N12O11S MolecularWeight: 802.89926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C31H54N12O11S/c1-3-14(2)23(42-24(47)15(32)10-21(33)45)29(52)43-9-5-7-20(43)28(51)40-18(12-44)26(49)38-16(6-4-8-37-31(35)36)25(48)41-19(13-55)27(50)39-17(30(53)54)11-22(34)46/h14-20,23,44,55H,3-13,32H2,1-2H3,(H2,33,45)(H2,34,46)(H,38,49)(H,39,50)(H,40,51)(H,41,48)(H,42,47)(H,53,54)(H4,35,36,37)/t14-,15-,16-,17-,18-,19-,20-,23-/m0/s1