(2R)-N-[(2S)-1-azanyl-5-[carbamimidoyl(ethyl)amino]-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2R)-N-[(2S)-1-azanyl-5-[carbamimidoyl(ethyl)amino]-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-pentanamide Openeye Name: (2R)-N-[(1S)-4-[carbamimidoyl(ethyl)amino]-1-carbamoyl-butyl]-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-pentanamide CAS Name: (2R)-N-[(2S)-1-amino-5-[carbamimidoyl(ethyl)amino]-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentyl]-methylamino]-1-oxopentyl]amino]-4-methylpentanamide IUPAC Name: (2R)-N-[(2S)-1-amino-5-[carbamimidoyl(ethyl)amino]-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-methylamino]pentanoyl]amino]-4-methylpentanamide Traditional Name: (2R)-N-[(1S)-4-[amidino(ethyl)amino]-1-carbamoyl-butyl]-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-valeramide Formula: C56H93N19O10 MolecularWeight: 1192.45892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N(C)C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC)C(=N)N

Isomeric SMILES

CCN(CCC[C@@H](C(=O)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC)C(=N)N

InChI

InChI=1S/C56H93N19O10/c1-8-75(56(62)63)26-14-18-38(47(57)79)70-49(81)42(28-34(4)5)73-52(84)44(19-13-25-66-55(60)61)74(7)53(85)39(17-12-24-65-54(58)59)71-50(82)41(27-33(2)3)72-51(83)43(30-35-15-10-9-11-16-35)69-46(78)32-67-45(77)31-68-48(80)40(64-6)29-36-20-22-37(76)23-21-36/h9-11,15-16,20-23,33-34,38-44,64,76H,8,12-14,17-19,24-32H2,1-7H3,(H2,57,79)(H3,62,63)(H,67,77)(H,68,80)(H,69,78)(H,70,81)(H,71,82)(H,72,83)(H,73,84)(H4,58,59,65)(H4,60,61,66)/t38-,39-,40-,41-,42+,43-,44-/m0/s1