(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[2-(trimethylazaniumyl)ethanoylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[2-(trimethylazaniumyl)ethanoylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-guanidino-2-[[2-(trimethylammonio)acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxo-2-[[1-oxo-2-(trimethylammonio)ethyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[2-(trimethylazaniumyl)acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-guanidino-2-[[2-(trimethylammonio)acetyl]amino]pentanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-valerate Formula: C37H61N9O8 MolecularWeight: 759.93574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)[O-])NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C[N+](C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)C[N+](C)(C)C

InChI

InChI=1S/C37H61N9O8/c1-8-23(4)31(34(51)43-28(36(53)54)19-22(2)3)44-32(49)27(20-24-13-15-25(47)16-14-24)42-33(50)29-12-10-18-45(29)35(52)26(11-9-17-40-37(38)39)41-30(48)21-46(5,6)7/h13-16,22-23,26-29,31H,8-12,17-21H2,1-7H3,(H9-,38,39,40,41,42,43,44,47,48,49,50,51,53,54)/t23-,26-,27-,28-,29-,31-/m0/s1