(2R)-2-[[(2R,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[2-(4-bromophenyl)ethanoylamino]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-(4-bromophenyl)ethanoylamino]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)-2-[[(2S)-2-[[2-(4-bromophenyl)acetyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-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)-2-[[(2S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-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)-2-[[(2S)-2-[[2-(4-bromophenyl)acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)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)-2-[[(2S)-2-[[2-(4-bromophenyl)acetyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C46H69BrN12O9 MolecularWeight: 1014.01906

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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)CC3=CC=C(C=C3)Br

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)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C46H69BrN12O9/c1-5-27(4)38(42(65)57-35(44(67)68)23-26(2)3)58-40(63)34(24-28-14-18-31(60)19-15-28)56-41(64)36-11-8-22-59(36)43(66)33(10-7-21-53-46(50)51)55-39(62)32(9-6-20-52-45(48)49)54-37(61)25-29-12-16-30(47)17-13-29/h12-19,26-27,32-36,38,60H,5-11,20-25H2,1-4H3,(H,54,61)(H,55,62)(H,56,64)(H,57,65)(H,58,63)(H,67,68)(H4,48,49,52)(H4,50,51,53)/t27-,32-,33-,34-,35+,36-,38+/m0/s1