(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S,3S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[2-[2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoylamino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoyl]-N-[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S,3S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[2-[2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoylamino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoyl]-N-[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-5-amino-1-carbamoyl-pentyl]-1-[(2S)-5-guanidino-2-[[(2S,3S)-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[3-(4-hydroxy-2,6-dimethyl-phenyl)propanoylamino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopentyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[3-(4-hydroxy-2,6-dimethylphenyl)propanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-5-amino-1-carbamoyl-pentyl]-1-[(2S)-5-guanidino-2-[[(2S,3S)-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[3-(4-hydroxy-2,6-dimethyl-phenyl)propanoylamino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide Formula: C65H107N21O12 MolecularWeight: 1374.67858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)CCC3=C(C=C(C=C3C)O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)CCC3=C(C=C(C=C3C)O)C

InChI

InChI=1S/C65H107N21O12/c1-7-38(4)54(61(97)83-47(22-15-29-76-65(72)73)62(98)86-30-16-23-50(86)60(96)80-44(55(67)91)19-11-12-26-66)85-57(93)46(21-14-28-75-64(70)71)81-56(92)45(20-13-27-74-63(68)69)82-58(94)48(31-37(2)3)84-59(95)49(34-41-17-9-8-10-18-41)79-53(90)36-78-52(89)35-77-51(88)25-24-43-39(5)32-42(87)33-40(43)6/h8-10,17-18,32-33,37-38,44-50,54,87H,7,11-16,19-31,34-36,66H2,1-6H3,(H2,67,91)(H,77,88)(H,78,89)(H,79,90)(H,80,96)(H,81,92)(H,82,94)(H,83,97)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1