(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]cyclopentyl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]cyclopentyl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[2-[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]cyclopentyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C41H67N11O9 MolecularWeight: 858.03898

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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)C2CCCC2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)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)C2CCCC2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C41H67N11O9/c1-6-23(4)33(38(59)51-32(39(60)61)20-22(2)3)52-37(58)31(21-25-14-16-26(54)17-15-25)50-35(56)28-11-7-10-27(28)34(55)29(12-8-18-46-40(42)43)49-36(57)30(48-24(5)53)13-9-19-47-41(44)45/h14-17,22-23,27-33,54H,6-13,18-21H2,1-5H3,(H,48,53)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,60,61)(H4,42,43,46)(H4,44,45,47)/t23-,27?,28?,29-,30-,31-,32-,33-/m0/s1