2-[[2-[[2-[[2-[[1-[2-[[2-[2-[[1-[1-[2-(2-azanylpropanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[1-[2-[[2-[2-[[1-[1-[2-(2-azanylpropanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(2-aminopropanoylamino)-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[[1-[[1-[2-[(2-amino-1-oxopropyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(alanylamino)-5-guanidino-pentanoyl]prolyl]prolyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C64H98N18O14 MolecularWeight: 1343.57512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CCCN=C(N)N)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CCCN=C(N)N)NC(=O)C(C)N

InChI

InChI=1S/C64H98N18O14/c1-6-37(4)51(58(91)78-50(36(2)3)62(95)96)79-53(86)41(22-13-27-70-63(66)67)74-55(88)44(33-40-20-11-8-12-21-40)76-57(90)47-25-16-29-80(47)60(93)45(35-83)77-54(87)43(32-39-18-9-7-10-19-39)73-49(84)34-72-56(89)46-24-15-30-81(46)61(94)48-26-17-31-82(48)59(92)42(75-52(85)38(5)65)23-14-28-71-64(68)69/h7-12,18-21,36-38,41-48,50-51,83H,6,13-17,22-35,65H2,1-5H3,(H,72,89)(H,73,84)(H,74,88)(H,75,85)(H,76,90)(H,77,87)(H,78,91)(H,79,86)(H,95,96)(H4,66,67,70)(H4,68,69,71)