(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetyloxyphenyl)carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetyloxyphenyl)carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetoxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2-acetyloxyphenyl)-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-6-amino-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-6-amino-1-oxohexyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetyloxybenzoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetoxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]glutaric acid Formula: C47H80N18O13 MolecularWeight: 1105.2509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1OC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C47H80N18O13/c1-26(37(69)60-32(16-10-24-57-46(52)53)41(73)63-30(14-6-8-22-49)43(75)65-34(44(76)77)19-20-36(67)68)59-39(71)31(15-9-23-56-45(50)51)64-40(72)29(13-5-7-21-48)62-42(74)33(17-11-25-58-47(54)55)61-38(70)28-12-3-4-18-35(28)78-27(2)66/h3-4,12,18,26,29-34H,5-11,13-17,19-25,48-49H2,1-2H3,(H,59,71)(H,60,69)(H,61,70)(H,62,74)(H,63,73)(H,64,72)(H,65,75)(H,67,68)(H,76,77)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t26-,29-,30-,31-,32-,33-,34-/m0/s1