(2S,3S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[[(2S)-1-[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-(glycylamino)-3-hydroxy-propanoyl]prolyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-valeric acid Formula: C29H51N11O11 MolecularWeight: 729.78234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CN

InChI

InChI=1S/C29H51N11O11/c1-3-15(2)23(28(50)51)39-24(46)16(6-4-8-33-29(31)32)38-25(47)17(13-41)36-22(45)12-34-21(44)11-35-26(48)19-7-5-9-40(19)27(49)18(14-42)37-20(43)10-30/h15-19,23,41-42H,3-14,30H2,1-2H3,(H,34,44)(H,35,48)(H,36,45)(H,37,43)(H,38,47)(H,39,46)(H,50,51)(H4,31,32,33)/t15-,16-,17-,18-,19-,23-/m0/s1