(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-N-[(2S)-3-methyl-1-[[2-[[(2S,3S)-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-N-[(2S)-3-methyl-1-[[2-[[(2S,3S)-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]-N-[(1S)-1-[[2-[[(1S,2S)-1-formyl-2-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-N-[(2S)-3-methyl-1-[[2-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-3-methyl-1-[[2-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]-N-[(1S)-1-[[2-[[(1S,2S)-1-formyl-2-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]pyrrolidine-2-carboxamide Formula: C45H75N15O12 MolecularWeight: 1018.1703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=O)NC(=O)CNC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C=O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N

InChI

InChI=1S/C45H75N15O12/c1-5-25(4)32(22-62)54-35(65)20-53-42(71)36(24(2)3)59-41(70)34-11-8-18-60(34)43(72)30(10-7-17-52-45(49)50)56-38(67)29(9-6-16-51-44(47)48)55-39(68)31(19-26-12-14-27(64)15-13-26)57-40(69)33(23-63)58-37(66)28(46)21-61/h12-15,22,24-25,28-34,36,61,63-64H,5-11,16-21,23,46H2,1-4H3,(H,53,71)(H,54,65)(H,55,68)(H,56,67)(H,57,69)(H,58,66)(H,59,70)(H4,47,48,51)(H4,49,50,52)/t25-,28-,29-,30-,31-,32+,33-,34-,36-/m0/s1