(2R)-2-[[(2R,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(2-iodanylphenyl)carbonylamino]pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2R)-2-[[(2R,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(2-iodanylphenyl)carbonylamino]pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2R)-2-[[(2R,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[(2-iodanylbenzoyl)amino]pentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2R)-2-[[(2R,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2-iodanylphenyl)-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2R)-2-[[(2R,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-iodanylbenzoyl)amino]pentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2R)-2-[[(2R,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[(2-iodanylbenzoyl)amino]pentanoyl]amino]pentanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C45H67IN12O9 MolecularWeight: 1042.994078

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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(CCCN=C(N)N)NC(=O)C3=CC=CC=C3I

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@H](CCCN=C(N)N)NC(=O)C3=CC=CC=C3[123I]

InChI

InChI=1S/C45H67IN12O9/c1-5-26(4)36(41(64)56-34(43(66)67)23-25(2)3)57-39(62)33(24-27-16-18-28(59)19-17-27)55-40(63)35-15-10-22-58(35)42(65)32(14-9-21-52-45(49)50)54-38(61)31(13-8-20-51-44(47)48)53-37(60)29-11-6-7-12-30(29)46/h6-7,11-12,16-19,25-26,31-36,59H,5,8-10,13-15,20-24H2,1-4H3,(H,53,60)(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,47,48,51)(H4,49,50,52)/t26-,31-,32-,33-,34+,35-,36+/m0/s1/i46-4